>compound Cystathionine_Cystathionine
#instrument UPLC Q-Tof Premier, Waters
>formula C7H14N2O4S
#smiles OC(=O)[C@@H](N)CCSC[C@@H](N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100113.txt;LC-ESI-QTOF_train_data/PR100535.txt;LC-ESI-QTOF_train_data/PR100114.txt
>charge 1
>ionization [M+H]+
>parentmass 223.07522

>collision 5-60
134.0343 74.18
207.0422 227.0
222.9829 53.07
223.0752 1745.0

>collision 5-60
120.0122 54.7
134.0275 79.75
220.8603 9.552
221.0596 58.36

>collision 30
88.0295 26.97
134.036 96.43
191.0155 24.71
207.0452 365.1
223.0752 445.3

